3-(hydroxymethyl)-2-methyl-5-nitro-benzoic acid

Systemtic Name: 3-(hydroxymethyl)-2-methyl-5-nitro-benzoic acid Openeye Name: 3-(hydroxymethyl)-2-methyl-5-nitro-benzoic acid CAS Name: 3-(hydroxymethyl)-2-methyl-5-nitrobenzoic acid IUPAC Name: 3-(hydroxymethyl)-2-methyl-5-nitrobenzoic acid Traditional Name: 2-methyl-3-methylol-5-nitro-benzoic acid Formula: C9H9NO5 MolecularWeight: 211.17146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])CO

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])CO

InChI

InChI=1S/C9H9NO5/c1-5-6(4-11)2-7(10(14)15)3-8(5)9(12)13/h2-3,11H,4H2,1H3,(H,12,13)